Excitonic Effects and the Optical Absorption Spectrum of Hydrogenated Si Clusters

Journal Article · Wed Apr 01 00:00:00 EST 1998 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.80.3320· OSTI ID:601017

Rohlfing, M; Louie, S G ^[1]

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1. Department of Physics, University of California, Berkeley, California 94720-7300 (United States)

We calculate the optical absorption spectrum of hydrogen-terminated silicon clusters by solving the Bethe-Salpeter equation for the two-particle Green{close_quote}s function using an {ital ab initio} approach. The one-particle Green{close_quote}s function and the electron-hole interaction kernel are calculated within the GW approximation for the electron self-energy operator. Very large exciton binding energies are observed. Our results for the one-particle properties and the optical absorption spectra of the clusters are in very good agreement with available experimental data. {copyright} {ital 1998} {ital The American Physical Society}

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 601017
• Journal Information: Physical Review Letters, Vol. 80, Issue 15; Other Information: PBD: Apr 1998
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
SILICON
HYDROGENATION
ABSORPTION SPECTRA
ATOMIC CLUSTERS
SOLID CLUSTERS
BETHE-SALPETER EQUATION
EXCITONS
BINDING ENERGY
ELECTRON-HOLE COUPLING